[5-[[(2-bromophenyl)carbonyl-butan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(2-bromophenyl)carbonyl-butan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2-bromobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(2-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-bromobenzoyl)-butan-2-ylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2-bromobenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H25BrFNO5S MolecularWeight: 550.437103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C25H25BrFNO5S/c1-4-17(2)28(25(29)21-7-5-6-8-22(21)26)16-18-9-14-23(32-3)24(15-18)33-34(30,31)20-12-10-19(27)11-13-20/h5-15,17H,4,16H2,1-3H3